============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 10 0.840 -62.715 -8.565 41.019 -99.200 -91.000 TYR 25 0.840 -74.465 -18.109 24.757 -99.200 -91.000 PHE 26 1.000 -77.753 -27.943 26.292 -99.200 -91.000 HIS 28 0.900 -81.534 -17.818 24.608 -99.200 -91.000 PHE 32 1.000 -82.150 -19.784 18.746 -99.200 -91.000 TRP 35 1.040 -89.357 -22.344 18.025 -99.200 -91.000 TRP6 35 1.020 -88.419 -20.423 19.040 -99.200 -91.000 TYR 45 0.840 -74.040 -28.714 21.858 -99.200 -91.000 HIS 46 0.900 -70.608 -26.647 17.967 -99.200 -91.000 HIS 54 0.900 -64.942 -18.909 28.175 -99.200 -91.000 TYR 58 0.840 -63.531 -17.738 35.030 -99.200 -91.000 PHE 64 1.000 -51.970 -23.281 41.633 -99.200 -91.000 TYR 107 0.840 -57.711 -7.023 43.226 -99.200 -91.000 HIS 112 0.900 -47.087 -7.228 41.559 -99.200 -91.000 TYR 114 0.840 -48.080 -9.640 37.023 -99.200 -91.000 HIS 130 0.900 -68.605 -16.727 23.462 -99.200 -91.000 TRP 133 1.040 -72.461 -15.868 15.382 -99.200 -91.000 TRP6 133 1.020 -74.396 -16.502 16.567 -99.200 -91.000 TYR 149 0.840 -81.250 -14.403 11.439 -99.200 -91.000